SCHEMBL9052806

SCHEMBL9052806

O=C(C1NCCn2ccnc21)N1CCC(O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.35
PLAT P00750 1/20 0.35
GRIN2B Q13224 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
BUB1 O43683 2/20 0.32
DPP4 P27487 2/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
CCNK O75909 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
DGAT2 Q96PD7 1/20 0.31
CCNC P24863 2/20 0.31
CDK8 P49336 2/20 0.31
CDK19 Q9BWU1 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9052285 0.83 DPP4 (0.38) DPP4DPP8DPP7HPSE
SCHEMBL9044117 0.71 HRH2 (0.34) JAK2JAK1
SCHEMBL15017651 0.71 HRH2 (0.34) JAK2JAK1
SCHEMBL10512865 0.66 TSHR (0.55)
SCHEMBL929673 0.65 TACR3 (0.37)
SCHEMBL9636767 0.64 GID4 (0.40) VNN1PLATJAK2JAK1
SCHEMBL9044128 0.64 VNN1 (0.40) VNN1ACKR3
SCHEMBL9637780 0.63 OPRK1 (0.41) PLATJAK2JAK1
SCHEMBL2673131 0.62 CHRNB2 (0.48) JAK2JAK1DPP4DPP7
SCHEMBL2673133 0.62 CHRNB2 (0.48) JAK2JAK1DPP4DPP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743944-A1 AZACYCLIC DERIVATIVES SmithKline Beecham Farmaceutici S.p.A. (IT) 1996-11-27 EP disclosed
WO-1995021843-A1 AZACYCLIC DERIVATIVES SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1995-08-17 WO disclosed